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	hartrees
Energy at 0K	-623.882394
Energy at 298.15K
HF Energy	-623.300321
Nuclear repulsion energy	272.591341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3189	3023	1.36
2	A₁	3101	2940	1.12
3	A₁	1565	1484	3.85
4	A₁	1471	1395	19.13
5	A₁	1204	1141	162.67
6	A₁	1076	1020	0.08
7	A₁	705	669	19.72
8	A₁	507	481	23.27
9	A₁	303	287	2.03
10	A₂	3196	3030	0.00
11	A₂	1549	1468	0.00
12	A₂	1008	955	0.00
13	A₂	291	276	0.00
14	A₂	207	196	0.00
15	B₁	3201	3034	4.31
16	B₁	1564	1483	16.20
17	B₁	1424	1350	182.21
18	B₁	1069	1013	2.78
19	B₁	373	354	1.72
20	B₁	236	224	0.53
21	B₂	3187	3021	0.01
22	B₂	3099	2937	0.03
23	B₂	1556	1475	10.48
24	B₂	1457	1381	29.19
25	B₂	1014	962	62.26
26	B₂	776	736	78.83
27	B₂	449	426	31.83

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.200
O2	-1.272	0.000	0.926
O3	1.272	0.000	0.926
C4	0.000	1.381	-0.930
C5	0.000	-1.381	-0.930
H6	0.000	2.293	-0.326
H7	0.000	-2.293	-0.326
H8	0.898	1.361	-1.552
H9	-0.898	1.361	-1.552
H10	-0.898	-1.361	-1.552
H11	0.898	-1.361	-1.552

	S1	O2	O3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.4647	1.4647	1.7838	1.7838	2.3528	2.3528	2.3931	2.3931	2.3931	2.3931
O2	1.4647		2.5442	2.6397	2.6397	2.9060	2.9060	3.5638	2.8515	2.8515	3.5638
O3	1.4647	2.5442		2.6397	2.6397	2.9060	2.9060	2.8515	3.5638	3.5638	2.8515
C4	1.7838	2.6397	2.6397		2.7610	1.0943	3.7230	1.0927	1.0927	2.9509	2.9509
C5	1.7838	2.6397	2.6397	2.7610		3.7230	1.0943	2.9509	2.9509	1.0927	1.0927
H6	2.3528	2.9060	2.9060	1.0943	3.7230		4.5865	1.7830	1.7830	3.9573	3.9573
H7	2.3528	2.9060	2.9060	3.7230	1.0943	4.5865		3.9573	3.9573	1.7830	1.7830
H8	2.3931	3.5638	2.8515	1.0927	2.9509	1.7830	3.9573		1.7962	3.2606	2.7213
H9	2.3931	2.8515	3.5638	1.0927	2.9509	1.7830	3.9573	1.7962		2.7213	3.2606
H10	2.3931	2.8515	3.5638	2.9509	1.0927	3.9573	1.7830	3.2606	2.7213		1.7962
H11	2.3931	3.5638	2.8515	2.9509	1.0927	3.9573	1.7830	2.7213	3.2606	1.7962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H6	107.223	S1	C4	H8	110.273
S1	C4	H9	110.273	S1	C5	H7	107.223
S1	C5	H10	110.273	S1	C5	H11	110.273
O2	S1	O3	120.571	O2	S1	C4	108.295
O2	S1	C5	108.295	O3	S1	C4	108.295
O3	S1	C5	108.295	C4	S1	C5	101.411
H6	C4	H8	109.225	H6	C4	H9	109.225
H7	C5	H10	109.225	H7	C5	H11	109.225
H8	C4	H9	110.550	H10	C5	H11	110.550

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)

using model chemistry: MP2=FULL/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C2H6O2S (Dimethyl sulfone)

using model chemistry: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for C₂H₆O₂S (Dimethyl sulfone)